Thermodynamic and density functional theory study the removal of different forms of gas arsenic by using aluminum nitride nanotube

Qiang Liu,Junli Wang, Wenshuai Liu, Taleeb Zedan Taban,Mustafa M. Kadhim, A. Sarkar

Fuel（2022）

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摘要

•Adsorption energy of AlNNTs indicates proper adsorption of different form of As.•DFT calculation helped to explain the reactive sites and removal pathways.•The AlNNTs and As act as acceptor and donor respectively.

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关键词

Coal power plants,As2O3,Aluminum nitride nanotube,Semi-conductive

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